CID 56912

Dodecanamide, n-(8-ethoxy-5-quinolylsulfonyl)-

Structural Information

Molecular Formula
C23H34N2O4S
SMILES
CCCCCCCCCCCC(=O)NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)OCC
InChI
InChI=1S/C23H34N2O4S/c1-3-5-6-7-8-9-10-11-12-15-22(26)25-30(27,28)21-17-16-20(29-4-2)23-19(21)14-13-18-24-23/h13-14,16-18H,3-12,15H2,1-2H3,(H,25,26)
InChIKey
KBBXKWIUFXHGIN-UHFFFAOYSA-N
Compound name
N-(8-ethoxyquinolin-5-yl)sulfonyldodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.22394 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.23122 206.5
[M+Na]+ 457.21316 215.5
[M+NH4]+ 452.25776 211.0
[M+K]+ 473.18710 206.6
[M-H]- 433.21666 206.5
[M+Na-2H]- 455.19861 209.0
[M]+ 434.22339 208.0
[M]- 434.22449 208.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.